SCHEMBL17138189

SCHEMBL17138189

C=CCCCOc1cccc(OCCCC=C)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
MAPK1 P28482 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
HPGD P15428 1/20 0.43
KCNA3 P22001 1/20 0.43
PRSS1 P07477 6/20 0.42
TSHR P16473 3/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17138168 0.94 KCNA3 (0.46) ALDH1A1L3MBTL1KDM4ETDP1MEN1
SCHEMBL17138208 0.92 PRSS1 (0.46) ALDH1A1L3MBTL1KDM4ETDP1MEN1
SCHEMBL13349919 0.91 TSHR (0.50) ALDH1A1L3MBTL1MAPK1CYP1A2CYP2D6
SCHEMBL146017 0.91 MAPK1 (0.54) ALDH1A1L3MBTL1MAPK1CYP1A2CYP2D6
SCHEMBL19051155 0.89 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPK1CYP1A2CYP2D6
SCHEMBL22367610 0.89 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPK1CYP1A2CYP2D6
SCHEMBL31267597 0.87 DRD2 (0.54) ALDH1A1L3MBTL1MAPK1CYP2D6KDM4E
SCHEMBL21310696 0.87 HPGD (0.58) L3MBTL1CYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL30375456 0.87 TSHR (0.58) ALDH1A1L3MBTL1PRSS1TSHR
SCHEMBL30594499 0.87 ALDH1A1 (0.56) ALDH1A1L3MBTL1KDM4EKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150283051-A1 DERIVATIVE OF NOVEL POLYHYDROXY AROMATIC COMPOUND AND USE THEREOF RNS CO.,LTD. (KR) 2015-10-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150283051-A1 DERIVATIVE OF NOVEL POLYHYDROXY AROMATIC COMPOUND AND USE THEREOF HRH3, CBR3, H1-0 ALDH1A1 133/4885L3MBTL1 2433/4885MAPK1 1198/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.